Isobutylthiobenzene
TL;DR: Isobutylthiobenzene (CAS 13307-61-4) is a chemical compound with molecular formula C10H14S and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropylsulfanylbenzene
Also Known As: Isobutylthiobenzene, Isobutyl phenyl sulfide, Sulfide, isobutyl phenyl, Isobutylphenylsulfide, isobutyl(phenyl)sulfane
| Molecular Formula | C10H14S |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 13307-61-4 |
|---|---|
| SMILES | CC(C)CSC1=CC=CC=C1 |
| InChIKey | UQRLAGGSKUVKMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutylthiobenzene (CAS 13307-61-4), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: 2-methylpropylsulfanylbenzene.
Chemical Property Profile of Isobutylthiobenzene
Property Insights of Isobutylthiobenzene
The XLogP value of 4.2 indicates that Isobutylthiobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Isobutylthiobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutylthiobenzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isobutylthiobenzene?
The CAS number of Isobutylthiobenzene is 13307-61-4.
What is the molecular formula of Isobutylthiobenzene?
The molecular formula of Isobutylthiobenzene is C10H14S.
What is the molecular weight of Isobutylthiobenzene?
The molecular weight of Isobutylthiobenzene is 166.08 g/mol.
Where can I buy Isobutylthiobenzene?
You can request a quote for Isobutylthiobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutylthiobenzene?
Yes, KEHONG BIO provides custom synthesis services for Isobutylthiobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.